USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 156:sc= -10.8! USER MOD Set 1.2: A 77 TYR OH : rot 18:sc= -5.99! USER MOD Single : A 1 ALA N :NH3+ -144:sc= 0.041 (180deg=-0.00383) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 90:sc= -3.97! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.927 X(o=-0.93,f=-1.3) USER MOD Single : A 22 SER OG : rot -174:sc= -0.0905! USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= -0.552 (180deg=-0.893) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.268 (180deg=-1.05) USER MOD Single : A 27 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-6.1!) USER MOD Single : A 35 HIS : no HD1:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 64 THR OG1 : rot 55:sc= -2.73! USER MOD Single : A 65 TYR OH : rot 130:sc= -1.8! USER MOD Single : A 72 LYS NZ :NH3+ 176:sc=-0.00861 (180deg=-0.0116) USER MOD Single : A 80 ASN :FLIP amide:sc= -2.11! C(o=-3.1!,f=-2.1!) USER MOD Single : A 82 THR OG1 : rot 19:sc= -7.06! USER MOD Single : A 87 ASN : amide:sc= -3.14! C(o=-3.1!,f=-6.3!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.587 -11.579 -0.277 1.00 0.00 N ATOM 2 CA ALA A 1 -17.599 -10.818 -1.094 1.00 0.00 C ATOM 3 C ALA A 1 -16.206 -10.979 -0.490 1.00 0.00 C ATOM 4 O ALA A 1 -15.882 -11.994 0.095 1.00 0.00 O ATOM 5 CB ALA A 1 -17.990 -9.336 -1.126 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.310 -11.990 -0.901 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.099 -12.341 0.237 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.041 -10.938 0.404 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.593 -11.205 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.266 -8.782 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.981 -9.231 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.001 -8.940 -0.110 1.00 0.00 H new ATOM 13 N ASP A 2 -15.380 -9.985 -0.636 1.00 0.00 N ATOM 14 CA ASP A 2 -14.000 -10.067 -0.082 1.00 0.00 C ATOM 15 C ASP A 2 -13.764 -9.002 1.008 1.00 0.00 C ATOM 16 O ASP A 2 -12.740 -8.351 1.017 1.00 0.00 O ATOM 17 CB ASP A 2 -13.000 -9.860 -1.216 1.00 0.00 C ATOM 18 CG ASP A 2 -11.607 -9.841 -0.618 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.478 -10.296 0.501 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.698 -9.369 -1.281 1.00 0.00 O ATOM 0 H ASP A 2 -15.601 -9.113 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.868 -11.049 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.088 -10.660 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.203 -8.924 -1.737 1.00 0.00 H new ATOM 25 N PRO A 3 -14.682 -8.872 1.930 1.00 0.00 N ATOM 26 CA PRO A 3 -14.519 -7.926 3.044 1.00 0.00 C ATOM 27 C PRO A 3 -13.559 -8.537 4.071 1.00 0.00 C ATOM 28 O PRO A 3 -13.295 -7.967 5.112 1.00 0.00 O ATOM 29 CB PRO A 3 -15.926 -7.807 3.630 1.00 0.00 C ATOM 30 CG PRO A 3 -16.675 -9.093 3.209 1.00 0.00 C ATOM 31 CD PRO A 3 -15.952 -9.625 1.959 1.00 0.00 C ATOM 0 HA PRO A 3 -14.113 -6.959 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.890 -7.715 4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.432 -6.919 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.660 -9.832 4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.722 -8.880 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.777 -10.699 2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.538 -9.453 1.056 1.00 0.00 H new ATOM 39 N GLU A 4 -13.067 -9.720 3.792 1.00 0.00 N ATOM 40 CA GLU A 4 -12.159 -10.409 4.750 1.00 0.00 C ATOM 41 C GLU A 4 -10.992 -11.076 4.015 1.00 0.00 C ATOM 42 O GLU A 4 -10.288 -11.894 4.573 1.00 0.00 O ATOM 43 CB GLU A 4 -12.961 -11.496 5.439 1.00 0.00 C ATOM 44 CG GLU A 4 -12.938 -11.277 6.953 1.00 0.00 C ATOM 45 CD GLU A 4 -13.357 -12.566 7.664 1.00 0.00 C ATOM 46 OE1 GLU A 4 -14.520 -12.922 7.565 1.00 0.00 O ATOM 47 OE2 GLU A 4 -12.509 -13.173 8.296 1.00 0.00 O ATOM 0 H GLU A 4 -13.259 -10.238 2.935 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.761 -9.681 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.989 -11.487 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.546 -12.475 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.939 -10.982 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.613 -10.465 7.224 1.00 0.00 H new ATOM 54 N LYS A 5 -10.780 -10.751 2.774 1.00 0.00 N ATOM 55 CA LYS A 5 -9.665 -11.384 2.023 1.00 0.00 C ATOM 56 C LYS A 5 -9.076 -10.339 1.090 1.00 0.00 C ATOM 57 O LYS A 5 -8.658 -10.628 -0.015 1.00 0.00 O ATOM 58 CB LYS A 5 -10.198 -12.566 1.209 1.00 0.00 C ATOM 59 CG LYS A 5 -9.562 -13.863 1.710 1.00 0.00 C ATOM 60 CD LYS A 5 -10.394 -14.425 2.865 1.00 0.00 C ATOM 61 CE LYS A 5 -11.110 -15.696 2.404 1.00 0.00 C ATOM 62 NZ LYS A 5 -10.862 -16.790 3.384 1.00 0.00 N ATOM 0 H LYS A 5 -11.331 -10.074 2.246 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.902 -11.750 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.283 -12.623 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.973 -12.423 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.507 -14.590 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.540 -13.676 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.751 -14.645 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.122 -13.685 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.180 -15.511 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.753 -15.990 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.349 -17.654 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.840 -16.973 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.224 -16.508 4.318 1.00 0.00 H new ATOM 76 N SER A 6 -9.066 -9.118 1.531 1.00 0.00 N ATOM 77 CA SER A 6 -8.530 -8.028 0.681 1.00 0.00 C ATOM 78 C SER A 6 -7.295 -7.445 1.354 1.00 0.00 C ATOM 79 O SER A 6 -7.366 -6.877 2.425 1.00 0.00 O ATOM 80 CB SER A 6 -9.574 -6.929 0.534 1.00 0.00 C ATOM 81 OG SER A 6 -10.801 -7.499 0.100 1.00 0.00 O ATOM 0 H SER A 6 -9.407 -8.827 2.447 1.00 0.00 H new ATOM 0 HA SER A 6 -8.277 -8.423 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.715 -6.416 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.233 -6.182 -0.183 1.00 0.00 H new ATOM 0 HG SER A 6 -11.337 -7.755 0.880 1.00 0.00 H new ATOM 87 N TYR A 7 -6.162 -7.601 0.743 1.00 0.00 N ATOM 88 CA TYR A 7 -4.912 -7.072 1.365 1.00 0.00 C ATOM 89 C TYR A 7 -4.066 -6.330 0.328 1.00 0.00 C ATOM 90 O TYR A 7 -4.019 -6.693 -0.831 1.00 0.00 O ATOM 91 CB TYR A 7 -4.096 -8.236 1.944 1.00 0.00 C ATOM 92 CG TYR A 7 -4.432 -9.509 1.203 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.555 -10.258 1.571 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.625 -9.933 0.141 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.872 -11.433 0.879 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.942 -11.107 -0.554 1.00 0.00 C ATOM 97 CZ TYR A 7 -5.065 -11.856 -0.184 1.00 0.00 C ATOM 98 OH TYR A 7 -5.378 -13.013 -0.870 1.00 0.00 O ATOM 0 H TYR A 7 -6.040 -8.068 -0.155 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.186 -6.377 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.030 -8.024 1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.314 -8.353 3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.178 -9.929 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.758 -9.355 -0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.738 -12.012 1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.321 -11.434 -1.375 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.717 -13.162 -1.578 1.00 0.00 H new ATOM 108 N ALA A 8 -3.382 -5.299 0.749 1.00 0.00 N ATOM 109 CA ALA A 8 -2.517 -4.531 -0.189 1.00 0.00 C ATOM 110 C ALA A 8 -1.085 -4.552 0.335 1.00 0.00 C ATOM 111 O ALA A 8 -0.838 -4.287 1.495 1.00 0.00 O ATOM 112 CB ALA A 8 -2.997 -3.082 -0.277 1.00 0.00 C ATOM 0 H ALA A 8 -3.387 -4.955 1.709 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.565 -4.983 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.358 -2.528 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.025 -3.061 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.950 -2.623 0.710 1.00 0.00 H new ATOM 118 N GLU A 9 -0.134 -4.873 -0.497 1.00 0.00 N ATOM 119 CA GLU A 9 1.272 -4.910 -0.008 1.00 0.00 C ATOM 120 C GLU A 9 2.231 -4.532 -1.133 1.00 0.00 C ATOM 121 O GLU A 9 2.065 -4.922 -2.277 1.00 0.00 O ATOM 122 CB GLU A 9 1.600 -6.319 0.490 1.00 0.00 C ATOM 123 CG GLU A 9 0.876 -6.571 1.814 1.00 0.00 C ATOM 124 CD GLU A 9 1.435 -7.835 2.468 1.00 0.00 C ATOM 125 OE1 GLU A 9 2.473 -7.740 3.102 1.00 0.00 O ATOM 126 OE2 GLU A 9 0.817 -8.876 2.323 1.00 0.00 O ATOM 0 H GLU A 9 -0.266 -5.108 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 9 1.384 -4.196 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.295 -7.059 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.676 -6.428 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.004 -5.717 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.194 -6.681 1.640 1.00 0.00 H new ATOM 133 N GLY A 10 3.233 -3.762 -0.817 1.00 0.00 N ATOM 134 CA GLY A 10 4.208 -3.356 -1.856 1.00 0.00 C ATOM 135 C GLY A 10 5.478 -2.816 -1.204 1.00 0.00 C ATOM 136 O GLY A 10 5.520 -2.609 -0.007 1.00 0.00 O ATOM 0 H GLY A 10 3.416 -3.398 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.450 -4.208 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.769 -2.594 -2.500 1.00 0.00 H new ATOM 140 N PRO A 11 6.458 -2.542 -2.028 1.00 0.00 N ATOM 141 CA PRO A 11 7.728 -1.947 -1.580 1.00 0.00 C ATOM 142 C PRO A 11 7.519 -0.446 -1.328 1.00 0.00 C ATOM 143 O PRO A 11 8.452 0.296 -1.090 1.00 0.00 O ATOM 144 CB PRO A 11 8.673 -2.179 -2.762 1.00 0.00 C ATOM 145 CG PRO A 11 7.774 -2.372 -4.005 1.00 0.00 C ATOM 146 CD PRO A 11 6.395 -2.815 -3.480 1.00 0.00 C ATOM 0 HA PRO A 11 8.115 -2.374 -0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.344 -1.331 -2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.298 -3.056 -2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.694 -1.446 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.194 -3.122 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.589 -2.257 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.213 -3.871 -3.680 1.00 0.00 H new ATOM 154 N GLY A 12 6.288 0.000 -1.386 1.00 0.00 N ATOM 155 CA GLY A 12 5.973 1.434 -1.161 1.00 0.00 C ATOM 156 C GLY A 12 5.079 1.549 0.069 1.00 0.00 C ATOM 157 O GLY A 12 4.423 0.606 0.426 1.00 0.00 O ATOM 0 H GLY A 12 5.477 -0.586 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.890 2.005 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.471 1.853 -2.034 1.00 0.00 H new ATOM 161 N LEU A 13 5.049 2.693 0.710 1.00 0.00 N ATOM 162 CA LEU A 13 4.176 2.879 1.921 1.00 0.00 C ATOM 163 C LEU A 13 4.921 2.485 3.186 1.00 0.00 C ATOM 164 O LEU A 13 4.464 2.717 4.288 1.00 0.00 O ATOM 165 CB LEU A 13 2.871 2.079 1.750 1.00 0.00 C ATOM 166 CG LEU A 13 2.800 0.787 2.609 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.593 0.866 3.535 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.633 -0.437 1.702 1.00 0.00 C ATOM 0 H LEU A 13 5.595 3.514 0.447 1.00 0.00 H new ATOM 0 HA LEU A 13 3.915 3.933 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.028 2.720 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.757 1.810 0.700 1.00 0.00 H new ATOM 0 HG LEU A 13 3.720 0.696 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.539 -0.039 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.691 1.734 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.684 0.960 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.584 -1.338 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.714 -0.339 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.482 -0.505 1.022 1.00 0.00 H new ATOM 180 N ASP A 14 6.070 1.916 3.041 1.00 0.00 N ATOM 181 CA ASP A 14 6.856 1.533 4.244 1.00 0.00 C ATOM 182 C ASP A 14 7.321 2.806 4.933 1.00 0.00 C ATOM 183 O ASP A 14 7.715 2.808 6.083 1.00 0.00 O ATOM 184 CB ASP A 14 8.087 0.756 3.820 1.00 0.00 C ATOM 185 CG ASP A 14 7.732 -0.194 2.674 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.356 0.293 1.620 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.844 -1.394 2.869 1.00 0.00 O ATOM 0 H ASP A 14 6.506 1.696 2.145 1.00 0.00 H new ATOM 0 HA ASP A 14 6.241 0.925 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.871 1.444 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.480 0.190 4.665 1.00 0.00 H new ATOM 192 N GLY A 15 7.281 3.889 4.219 1.00 0.00 N ATOM 193 CA GLY A 15 7.724 5.191 4.797 1.00 0.00 C ATOM 194 C GLY A 15 9.244 5.277 4.798 1.00 0.00 C ATOM 195 O GLY A 15 9.905 5.023 3.810 1.00 0.00 O ATOM 0 H GLY A 15 6.959 3.934 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.306 6.015 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.346 5.293 5.814 1.00 0.00 H new ATOM 199 N GLY A 16 9.796 5.633 5.921 1.00 0.00 N ATOM 200 CA GLY A 16 11.279 5.746 6.039 1.00 0.00 C ATOM 201 C GLY A 16 11.827 6.857 5.150 1.00 0.00 C ATOM 202 O GLY A 16 12.376 7.828 5.631 1.00 0.00 O ATOM 0 H GLY A 16 9.280 5.853 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.549 5.943 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.740 4.798 5.764 1.00 0.00 H new ATOM 206 N GLU A 17 11.728 6.717 3.859 1.00 0.00 N ATOM 207 CA GLU A 17 12.299 7.766 2.974 1.00 0.00 C ATOM 208 C GLU A 17 11.267 8.304 1.990 1.00 0.00 C ATOM 209 O GLU A 17 10.436 7.586 1.469 1.00 0.00 O ATOM 210 CB GLU A 17 13.443 7.172 2.174 1.00 0.00 C ATOM 211 CG GLU A 17 14.705 7.108 3.036 1.00 0.00 C ATOM 212 CD GLU A 17 15.024 5.651 3.370 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.941 4.827 2.473 1.00 0.00 O ATOM 214 OE2 GLU A 17 15.345 5.383 4.515 1.00 0.00 O ATOM 0 H GLU A 17 11.282 5.932 3.384 1.00 0.00 H new ATOM 0 HA GLU A 17 12.637 8.585 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.177 6.173 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.629 7.776 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.543 7.562 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.560 7.679 3.953 1.00 0.00 H new ATOM 221 N CYS A 18 11.337 9.575 1.732 1.00 0.00 N ATOM 222 CA CYS A 18 10.385 10.218 0.769 1.00 0.00 C ATOM 223 C CYS A 18 10.957 10.121 -0.647 1.00 0.00 C ATOM 224 O CYS A 18 10.249 10.263 -1.623 1.00 0.00 O ATOM 225 CB CYS A 18 10.206 11.714 1.078 1.00 0.00 C ATOM 226 SG CYS A 18 8.784 11.982 2.174 1.00 0.00 S ATOM 0 H CYS A 18 12.018 10.210 2.148 1.00 0.00 H new ATOM 0 HA CYS A 18 9.428 9.703 0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.110 12.104 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.064 12.267 0.149 1.00 0.00 H new ATOM 0 HG CYS A 18 8.941 13.097 2.824 1.00 0.00 H new ATOM 232 N PHE A 19 12.238 9.909 -0.765 1.00 0.00 N ATOM 233 CA PHE A 19 12.854 9.838 -2.120 1.00 0.00 C ATOM 234 C PHE A 19 12.823 8.412 -2.638 1.00 0.00 C ATOM 235 O PHE A 19 13.411 8.090 -3.651 1.00 0.00 O ATOM 236 CB PHE A 19 14.283 10.365 -2.061 1.00 0.00 C ATOM 237 CG PHE A 19 14.186 11.860 -2.007 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.457 12.529 -2.995 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.767 12.574 -0.956 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.314 13.913 -2.939 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.612 13.961 -0.892 1.00 0.00 C ATOM 242 CZ PHE A 19 13.887 14.628 -1.887 1.00 0.00 C ATOM 0 H PHE A 19 12.883 9.782 0.015 1.00 0.00 H new ATOM 0 HA PHE A 19 12.282 10.459 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.803 9.978 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.850 10.045 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.005 11.972 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.333 12.056 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.761 14.432 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.050 14.518 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.771 15.701 -1.840 1.00 0.00 H new ATOM 252 N GLN A 20 12.094 7.569 -1.981 1.00 0.00 N ATOM 253 CA GLN A 20 11.965 6.179 -2.460 1.00 0.00 C ATOM 254 C GLN A 20 10.644 6.115 -3.212 1.00 0.00 C ATOM 255 O GLN A 20 9.699 6.780 -2.838 1.00 0.00 O ATOM 256 CB GLN A 20 11.934 5.218 -1.267 1.00 0.00 C ATOM 257 CG GLN A 20 12.819 4.005 -1.562 1.00 0.00 C ATOM 258 CD GLN A 20 11.961 2.739 -1.579 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.046 1.945 -2.496 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.130 2.515 -0.598 1.00 0.00 N ATOM 0 H GLN A 20 11.579 7.785 -1.127 1.00 0.00 H new ATOM 0 HA GLN A 20 12.803 5.894 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.284 5.726 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.911 4.896 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.319 4.131 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.599 3.918 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.058 3.181 0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.552 1.674 -0.601 1.00 0.00 H new ATOM 269 N PRO A 21 10.602 5.340 -4.251 1.00 0.00 N ATOM 270 CA PRO A 21 9.386 5.215 -5.055 1.00 0.00 C ATOM 271 C PRO A 21 8.334 4.483 -4.236 1.00 0.00 C ATOM 272 O PRO A 21 8.593 3.434 -3.682 1.00 0.00 O ATOM 273 CB PRO A 21 9.841 4.415 -6.281 1.00 0.00 C ATOM 274 CG PRO A 21 11.134 3.679 -5.858 1.00 0.00 C ATOM 275 CD PRO A 21 11.729 4.499 -4.698 1.00 0.00 C ATOM 0 HA PRO A 21 8.936 6.162 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.073 3.706 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.027 5.074 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.917 2.658 -5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.836 3.614 -6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.091 3.855 -3.896 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.574 5.104 -5.027 1.00 0.00 H new ATOM 283 N SER A 22 7.153 5.028 -4.121 1.00 0.00 N ATOM 284 CA SER A 22 6.136 4.342 -3.303 1.00 0.00 C ATOM 285 C SER A 22 5.137 3.667 -4.226 1.00 0.00 C ATOM 286 O SER A 22 4.386 4.314 -4.924 1.00 0.00 O ATOM 287 CB SER A 22 5.428 5.388 -2.472 1.00 0.00 C ATOM 288 OG SER A 22 5.312 4.920 -1.134 1.00 0.00 O ATOM 0 H SER A 22 6.860 5.904 -4.553 1.00 0.00 H new ATOM 0 HA SER A 22 6.595 3.593 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.983 6.326 -2.495 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.440 5.592 -2.886 1.00 0.00 H new ATOM 0 HG SER A 22 4.772 5.550 -0.613 1.00 0.00 H new ATOM 294 N LYS A 23 5.134 2.363 -4.245 1.00 0.00 N ATOM 295 CA LYS A 23 4.193 1.636 -5.125 1.00 0.00 C ATOM 296 C LYS A 23 3.834 0.299 -4.494 1.00 0.00 C ATOM 297 O LYS A 23 4.683 -0.430 -4.030 1.00 0.00 O ATOM 298 CB LYS A 23 4.856 1.371 -6.467 1.00 0.00 C ATOM 299 CG LYS A 23 5.697 2.579 -6.882 1.00 0.00 C ATOM 300 CD LYS A 23 6.470 2.250 -8.161 1.00 0.00 C ATOM 301 CE LYS A 23 7.173 0.901 -7.999 1.00 0.00 C ATOM 302 NZ LYS A 23 7.963 0.903 -6.735 1.00 0.00 N ATOM 0 H LYS A 23 5.748 1.772 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 23 3.295 2.239 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.486 0.484 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.097 1.168 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.054 3.444 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.390 2.844 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.789 2.218 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.202 3.031 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.439 0.096 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.828 0.715 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.826 0.337 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.223 1.880 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.392 0.494 -5.968 1.00 0.00 H new ATOM 316 N PHE A 24 2.578 -0.030 -4.479 1.00 0.00 N ATOM 317 CA PHE A 24 2.149 -1.332 -3.889 1.00 0.00 C ATOM 318 C PHE A 24 1.020 -1.910 -4.731 1.00 0.00 C ATOM 319 O PHE A 24 0.343 -1.196 -5.452 1.00 0.00 O ATOM 320 CB PHE A 24 1.662 -1.170 -2.441 1.00 0.00 C ATOM 321 CG PHE A 24 1.663 0.279 -2.069 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.876 0.956 -1.971 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.458 0.949 -1.848 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.893 2.310 -1.656 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.474 2.306 -1.524 1.00 0.00 C ATOM 326 CZ PHE A 24 1.695 2.985 -1.433 1.00 0.00 C ATOM 0 H PHE A 24 1.823 0.546 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 24 3.010 -2.000 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.658 -1.582 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.308 -1.730 -1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.804 0.429 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.480 0.420 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.833 2.837 -1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.453 2.831 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.708 4.037 -1.189 1.00 0.00 H new ATOM 336 N LYS A 25 0.799 -3.189 -4.643 1.00 0.00 N ATOM 337 CA LYS A 25 -0.301 -3.792 -5.440 1.00 0.00 C ATOM 338 C LYS A 25 -1.354 -4.320 -4.477 1.00 0.00 C ATOM 339 O LYS A 25 -1.041 -4.856 -3.430 1.00 0.00 O ATOM 340 CB LYS A 25 0.242 -4.940 -6.291 1.00 0.00 C ATOM 341 CG LYS A 25 0.987 -4.371 -7.500 1.00 0.00 C ATOM 342 CD LYS A 25 2.388 -4.982 -7.570 1.00 0.00 C ATOM 343 CE LYS A 25 2.317 -6.346 -8.261 1.00 0.00 C ATOM 344 NZ LYS A 25 1.922 -7.385 -7.267 1.00 0.00 N ATOM 0 H LYS A 25 1.327 -3.838 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.737 -3.044 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.912 -5.562 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.576 -5.580 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.437 -4.590 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.055 -3.286 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.058 -4.320 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.799 -5.092 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.596 -6.315 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.284 -6.595 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.268 -8.314 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.336 -7.155 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.886 -7.411 -7.186 1.00 0.00 H new ATOM 358 N ILE A 26 -2.603 -4.158 -4.807 1.00 0.00 N ATOM 359 CA ILE A 26 -3.665 -4.636 -3.896 1.00 0.00 C ATOM 360 C ILE A 26 -4.268 -5.910 -4.466 1.00 0.00 C ATOM 361 O ILE A 26 -4.504 -6.019 -5.650 1.00 0.00 O ATOM 362 CB ILE A 26 -4.737 -3.556 -3.752 1.00 0.00 C ATOM 363 CG1 ILE A 26 -4.093 -2.276 -3.210 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.804 -4.034 -2.771 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.504 -1.082 -4.066 1.00 0.00 C ATOM 0 H ILE A 26 -2.929 -3.716 -5.666 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.248 -4.847 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.192 -3.358 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.399 -2.115 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.008 -2.377 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.571 -3.267 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.258 -4.951 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.346 -4.226 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.042 -0.176 -3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.176 -1.241 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.588 -0.975 -4.044 1.00 0.00 H new ATOM 377 N HIS A 27 -4.492 -6.887 -3.638 1.00 0.00 N ATOM 378 CA HIS A 27 -5.052 -8.169 -4.136 1.00 0.00 C ATOM 379 C HIS A 27 -6.335 -8.510 -3.381 1.00 0.00 C ATOM 380 O HIS A 27 -6.331 -8.715 -2.179 1.00 0.00 O ATOM 381 CB HIS A 27 -4.042 -9.305 -3.918 1.00 0.00 C ATOM 382 CG HIS A 27 -2.676 -8.740 -3.644 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.133 -7.727 -4.414 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.743 -9.020 -2.677 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.928 -7.433 -3.902 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.638 -8.191 -2.841 1.00 0.00 N ATOM 0 H HIS A 27 -4.311 -6.853 -2.635 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.265 -8.060 -5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.360 -9.929 -3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.008 -9.946 -4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.850 -9.769 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.271 -6.674 -4.300 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.210 -8.167 -2.274 1.00 0.00 H new ATOM 394 N ALA A 28 -7.431 -8.576 -4.079 1.00 0.00 N ATOM 395 CA ALA A 28 -8.725 -8.916 -3.412 1.00 0.00 C ATOM 396 C ALA A 28 -9.078 -10.388 -3.668 1.00 0.00 C ATOM 397 O ALA A 28 -8.806 -10.920 -4.723 1.00 0.00 O ATOM 398 CB ALA A 28 -9.837 -8.036 -3.987 1.00 0.00 C ATOM 0 H ALA A 28 -7.492 -8.410 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.626 -8.746 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.782 -8.281 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.600 -6.987 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.922 -8.212 -5.059 1.00 0.00 H new ATOM 404 N VAL A 29 -9.705 -11.043 -2.722 1.00 0.00 N ATOM 405 CA VAL A 29 -10.106 -12.465 -2.936 1.00 0.00 C ATOM 406 C VAL A 29 -11.548 -12.625 -2.465 1.00 0.00 C ATOM 407 O VAL A 29 -11.895 -12.289 -1.351 1.00 0.00 O ATOM 408 CB VAL A 29 -9.185 -13.418 -2.162 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.931 -14.719 -1.825 1.00 0.00 C ATOM 410 CG2 VAL A 29 -7.975 -13.751 -3.034 1.00 0.00 C ATOM 0 H VAL A 29 -9.955 -10.654 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.021 -12.716 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.867 -12.938 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.267 -15.387 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.803 -14.490 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.252 -15.204 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.313 -14.428 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.310 -14.229 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.438 -12.834 -3.276 1.00 0.00 H new ATOM 420 N ASP A 30 -12.386 -13.134 -3.311 1.00 0.00 N ATOM 421 CA ASP A 30 -13.807 -13.315 -2.938 1.00 0.00 C ATOM 422 C ASP A 30 -14.072 -14.810 -2.721 1.00 0.00 C ATOM 423 O ASP A 30 -13.156 -15.607 -2.774 1.00 0.00 O ATOM 424 CB ASP A 30 -14.671 -12.739 -4.065 1.00 0.00 C ATOM 425 CG ASP A 30 -15.047 -13.830 -5.075 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.243 -14.726 -5.272 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.131 -13.750 -5.629 1.00 0.00 O ATOM 0 H ASP A 30 -12.145 -13.436 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.051 -12.794 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.575 -12.297 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.130 -11.939 -4.571 1.00 0.00 H new ATOM 432 N PRO A 31 -15.306 -15.147 -2.468 1.00 0.00 N ATOM 433 CA PRO A 31 -15.699 -16.542 -2.222 1.00 0.00 C ATOM 434 C PRO A 31 -15.816 -17.340 -3.527 1.00 0.00 C ATOM 435 O PRO A 31 -16.471 -18.362 -3.561 1.00 0.00 O ATOM 436 CB PRO A 31 -17.063 -16.413 -1.537 1.00 0.00 C ATOM 437 CG PRO A 31 -17.623 -15.027 -1.931 1.00 0.00 C ATOM 438 CD PRO A 31 -16.424 -14.182 -2.398 1.00 0.00 C ATOM 0 HA PRO A 31 -14.965 -17.081 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.735 -17.209 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.963 -16.498 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.363 -15.120 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.122 -14.556 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.614 -13.722 -3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.210 -13.374 -1.699 1.00 0.00 H new ATOM 446 N ASP A 32 -15.199 -16.913 -4.603 1.00 0.00 N ATOM 447 CA ASP A 32 -15.329 -17.720 -5.855 1.00 0.00 C ATOM 448 C ASP A 32 -13.940 -18.066 -6.416 1.00 0.00 C ATOM 449 O ASP A 32 -13.814 -18.548 -7.524 1.00 0.00 O ATOM 450 CB ASP A 32 -16.181 -16.951 -6.883 1.00 0.00 C ATOM 451 CG ASP A 32 -15.299 -16.198 -7.883 1.00 0.00 C ATOM 452 OD1 ASP A 32 -14.697 -15.214 -7.489 1.00 0.00 O ATOM 453 OD2 ASP A 32 -15.246 -16.617 -9.028 1.00 0.00 O ATOM 0 H ASP A 32 -14.629 -16.069 -4.669 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.834 -18.659 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.827 -17.648 -7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.831 -16.246 -6.365 1.00 0.00 H new ATOM 458 N GLY A 33 -12.902 -17.824 -5.663 1.00 0.00 N ATOM 459 CA GLY A 33 -11.530 -18.133 -6.151 1.00 0.00 C ATOM 460 C GLY A 33 -11.100 -17.002 -7.061 1.00 0.00 C ATOM 461 O GLY A 33 -10.392 -17.189 -8.030 1.00 0.00 O ATOM 0 H GLY A 33 -12.947 -17.423 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.840 -18.234 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.520 -19.081 -6.688 1.00 0.00 H new ATOM 465 N VAL A 34 -11.562 -15.824 -6.766 1.00 0.00 N ATOM 466 CA VAL A 34 -11.231 -14.665 -7.615 1.00 0.00 C ATOM 467 C VAL A 34 -11.245 -13.402 -6.767 1.00 0.00 C ATOM 468 O VAL A 34 -11.656 -13.416 -5.623 1.00 0.00 O ATOM 469 CB VAL A 34 -12.292 -14.564 -8.706 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.725 -13.786 -9.889 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.684 -15.977 -9.153 1.00 0.00 C ATOM 0 H VAL A 34 -12.159 -15.618 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.243 -14.782 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.172 -14.046 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.480 -13.712 -10.671 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.440 -12.786 -9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.849 -14.304 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.443 -15.914 -9.933 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.806 -16.493 -9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.083 -16.530 -8.303 1.00 0.00 H new ATOM 481 N HIS A 35 -10.825 -12.303 -7.316 1.00 0.00 N ATOM 482 CA HIS A 35 -10.848 -11.044 -6.534 1.00 0.00 C ATOM 483 C HIS A 35 -12.239 -10.430 -6.669 1.00 0.00 C ATOM 484 O HIS A 35 -12.401 -9.284 -7.031 1.00 0.00 O ATOM 485 CB HIS A 35 -9.783 -10.085 -7.069 1.00 0.00 C ATOM 486 CG HIS A 35 -8.526 -10.856 -7.377 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.366 -10.714 -6.630 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.232 -11.778 -8.352 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.439 -11.532 -7.164 1.00 0.00 C ATOM 490 NE2 HIS A 35 -6.915 -12.203 -8.214 1.00 0.00 N ATOM 0 H HIS A 35 -10.468 -12.222 -8.268 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.631 -11.239 -5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.146 -9.585 -7.967 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.575 -9.308 -6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.920 -12.121 -9.111 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.432 -11.633 -6.788 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.419 -12.882 -8.792 1.00 0.00 H new ATOM 498 N ARG A 36 -13.242 -11.210 -6.380 1.00 0.00 N ATOM 499 CA ARG A 36 -14.641 -10.729 -6.481 1.00 0.00 C ATOM 500 C ARG A 36 -14.993 -10.481 -7.944 1.00 0.00 C ATOM 501 O ARG A 36 -15.147 -9.353 -8.371 1.00 0.00 O ATOM 502 CB ARG A 36 -14.803 -9.437 -5.688 1.00 0.00 C ATOM 503 CG ARG A 36 -16.154 -9.469 -4.985 1.00 0.00 C ATOM 504 CD ARG A 36 -16.695 -8.045 -4.849 1.00 0.00 C ATOM 505 NE ARG A 36 -17.782 -7.832 -5.845 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.744 -6.990 -5.590 1.00 0.00 C ATOM 507 NH1 ARG A 36 -19.644 -7.279 -4.689 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.809 -5.858 -6.237 1.00 0.00 N ATOM 0 H ARG A 36 -13.146 -12.178 -6.073 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.310 -11.486 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.999 -9.336 -4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.741 -8.575 -6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.855 -10.083 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.052 -9.926 -4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.074 -7.883 -3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.894 -7.323 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.774 -8.345 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.595 -8.164 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.396 -6.620 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.107 -5.632 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.562 -5.199 -6.038 1.00 0.00 H new ATOM 522 N THR A 37 -15.128 -11.526 -8.718 1.00 0.00 N ATOM 523 CA THR A 37 -15.471 -11.345 -10.158 1.00 0.00 C ATOM 524 C THR A 37 -14.648 -10.184 -10.732 1.00 0.00 C ATOM 525 O THR A 37 -15.073 -9.047 -10.701 1.00 0.00 O ATOM 526 CB THR A 37 -16.962 -11.017 -10.287 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.552 -10.994 -8.995 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.650 -12.080 -11.145 1.00 0.00 C ATOM 0 H THR A 37 -15.016 -12.494 -8.416 1.00 0.00 H new ATOM 0 HA THR A 37 -15.248 -12.261 -10.705 1.00 0.00 H new ATOM 0 HB THR A 37 -17.080 -10.042 -10.760 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.506 -10.783 -9.075 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.710 -11.844 -11.235 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.197 -12.097 -12.136 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.534 -13.057 -10.676 1.00 0.00 H new ATOM 536 N ASP A 38 -13.472 -10.457 -11.243 1.00 0.00 N ATOM 537 CA ASP A 38 -12.625 -9.364 -11.806 1.00 0.00 C ATOM 538 C ASP A 38 -13.498 -8.365 -12.569 1.00 0.00 C ATOM 539 O ASP A 38 -14.489 -8.727 -13.173 1.00 0.00 O ATOM 540 CB ASP A 38 -11.589 -9.965 -12.756 1.00 0.00 C ATOM 541 CG ASP A 38 -10.227 -9.320 -12.497 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.198 -8.125 -12.255 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.237 -10.031 -12.544 1.00 0.00 O ATOM 0 H ASP A 38 -13.064 -11.390 -11.294 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.120 -8.846 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.527 -11.043 -12.609 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.890 -9.801 -13.791 1.00 0.00 H new ATOM 548 N GLY A 39 -13.138 -7.110 -12.547 1.00 0.00 N ATOM 549 CA GLY A 39 -13.948 -6.088 -13.270 1.00 0.00 C ATOM 550 C GLY A 39 -15.036 -5.532 -12.341 1.00 0.00 C ATOM 551 O GLY A 39 -15.333 -4.354 -12.361 1.00 0.00 O ATOM 0 H GLY A 39 -12.318 -6.748 -12.060 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.304 -5.279 -13.616 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.405 -6.532 -14.154 1.00 0.00 H new ATOM 555 N GLY A 40 -15.637 -6.365 -11.530 1.00 0.00 N ATOM 556 CA GLY A 40 -16.702 -5.868 -10.613 1.00 0.00 C ATOM 557 C GLY A 40 -16.184 -5.861 -9.172 1.00 0.00 C ATOM 558 O GLY A 40 -16.923 -6.098 -8.236 1.00 0.00 O ATOM 0 H GLY A 40 -15.436 -7.363 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.006 -4.863 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.585 -6.503 -10.689 1.00 0.00 H new ATOM 562 N ASP A 41 -14.922 -5.588 -8.985 1.00 0.00 N ATOM 563 CA ASP A 41 -14.363 -5.563 -7.603 1.00 0.00 C ATOM 564 C ASP A 41 -14.495 -4.153 -7.032 1.00 0.00 C ATOM 565 O ASP A 41 -13.842 -3.234 -7.482 1.00 0.00 O ATOM 566 CB ASP A 41 -12.878 -5.950 -7.638 1.00 0.00 C ATOM 567 CG ASP A 41 -12.693 -7.204 -8.493 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.671 -7.661 -9.062 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.575 -7.689 -8.563 1.00 0.00 O ATOM 0 H ASP A 41 -14.254 -5.381 -9.728 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.910 -6.271 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.288 -5.129 -8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.515 -6.131 -6.626 1.00 0.00 H new ATOM 574 N GLY A 42 -15.323 -3.973 -6.037 1.00 0.00 N ATOM 575 CA GLY A 42 -15.472 -2.617 -5.433 1.00 0.00 C ATOM 576 C GLY A 42 -14.164 -2.264 -4.731 1.00 0.00 C ATOM 577 O GLY A 42 -14.108 -2.120 -3.525 1.00 0.00 O ATOM 0 H GLY A 42 -15.900 -4.703 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.701 -1.881 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.300 -2.605 -4.724 1.00 0.00 H new ATOM 581 N PHE A 43 -13.105 -2.156 -5.480 1.00 0.00 N ATOM 582 CA PHE A 43 -11.782 -1.849 -4.878 1.00 0.00 C ATOM 583 C PHE A 43 -11.473 -0.359 -4.995 1.00 0.00 C ATOM 584 O PHE A 43 -11.265 0.163 -6.071 1.00 0.00 O ATOM 585 CB PHE A 43 -10.707 -2.635 -5.625 1.00 0.00 C ATOM 586 CG PHE A 43 -9.910 -3.472 -4.658 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.674 -3.021 -3.354 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.394 -4.702 -5.076 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.923 -3.806 -2.471 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.644 -5.486 -4.197 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.408 -5.038 -2.893 1.00 0.00 C ATOM 0 H PHE A 43 -13.100 -2.269 -6.494 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.799 -2.126 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.170 -3.275 -6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.046 -1.949 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.070 -2.070 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.576 -5.047 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.741 -3.461 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.247 -6.436 -4.523 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.828 -5.643 -2.211 1.00 0.00 H new ATOM 601 N VAL A 44 -11.403 0.319 -3.887 1.00 0.00 N ATOM 602 CA VAL A 44 -11.064 1.768 -3.920 1.00 0.00 C ATOM 603 C VAL A 44 -9.838 1.986 -3.026 1.00 0.00 C ATOM 604 O VAL A 44 -9.897 1.827 -1.822 1.00 0.00 O ATOM 605 CB VAL A 44 -12.265 2.625 -3.442 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.266 1.767 -2.664 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.790 3.777 -2.539 1.00 0.00 C ATOM 0 H VAL A 44 -11.566 -0.067 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.838 2.079 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.748 3.036 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.101 2.387 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.637 0.968 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.774 1.334 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.650 4.364 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.281 3.369 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.103 4.415 -3.095 1.00 0.00 H new ATOM 617 N VAL A 45 -8.731 2.350 -3.609 1.00 0.00 N ATOM 618 CA VAL A 45 -7.503 2.581 -2.802 1.00 0.00 C ATOM 619 C VAL A 45 -7.017 4.003 -3.036 1.00 0.00 C ATOM 620 O VAL A 45 -7.192 4.562 -4.100 1.00 0.00 O ATOM 621 CB VAL A 45 -6.412 1.602 -3.225 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.361 1.495 -2.116 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.027 0.230 -3.489 1.00 0.00 C ATOM 0 H VAL A 45 -8.624 2.498 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.730 2.431 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.936 1.962 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.582 0.795 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.919 2.475 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.833 1.138 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.245 -0.467 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.507 -0.134 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.768 0.310 -4.284 1.00 0.00 H new ATOM 633 N THR A 46 -6.411 4.598 -2.054 1.00 0.00 N ATOM 634 CA THR A 46 -5.925 5.986 -2.238 1.00 0.00 C ATOM 635 C THR A 46 -4.862 6.324 -1.195 1.00 0.00 C ATOM 636 O THR A 46 -5.016 6.059 -0.017 1.00 0.00 O ATOM 637 CB THR A 46 -7.097 6.961 -2.105 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.277 6.239 -1.781 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.295 7.701 -3.429 1.00 0.00 C ATOM 0 H THR A 46 -6.232 4.187 -1.138 1.00 0.00 H new ATOM 0 HA THR A 46 -5.483 6.073 -3.231 1.00 0.00 H new ATOM 0 HB THR A 46 -6.885 7.682 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.028 6.862 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.130 8.396 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.388 8.253 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.508 6.982 -4.220 1.00 0.00 H new ATOM 647 N ILE A 47 -3.798 6.937 -1.623 1.00 0.00 N ATOM 648 CA ILE A 47 -2.726 7.342 -0.679 1.00 0.00 C ATOM 649 C ILE A 47 -2.530 8.844 -0.775 1.00 0.00 C ATOM 650 O ILE A 47 -2.789 9.455 -1.792 1.00 0.00 O ATOM 651 CB ILE A 47 -1.390 6.671 -1.031 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.328 5.260 -0.420 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.228 7.534 -0.496 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.095 4.993 0.085 1.00 0.00 C ATOM 0 H ILE A 47 -3.624 7.177 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.025 7.039 0.324 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.305 6.583 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.040 5.174 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.608 4.515 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.722 7.060 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.270 8.523 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.314 7.629 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.146 3.995 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.795 5.063 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.357 5.732 0.842 1.00 0.00 H new ATOM 666 N GLU A 48 -2.019 9.434 0.258 1.00 0.00 N ATOM 667 CA GLU A 48 -1.749 10.888 0.188 1.00 0.00 C ATOM 668 C GLU A 48 -0.937 11.333 1.408 1.00 0.00 C ATOM 669 O GLU A 48 -0.987 10.732 2.464 1.00 0.00 O ATOM 670 CB GLU A 48 -3.068 11.665 0.130 1.00 0.00 C ATOM 671 CG GLU A 48 -4.165 10.883 0.858 1.00 0.00 C ATOM 672 CD GLU A 48 -5.105 11.862 1.565 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.787 13.039 1.599 1.00 0.00 O ATOM 674 OE2 GLU A 48 -6.127 11.417 2.061 1.00 0.00 O ATOM 0 H GLU A 48 -1.778 8.980 1.139 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.174 11.094 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.943 12.646 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.356 11.833 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.724 10.273 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.720 10.201 1.583 1.00 0.00 H new ATOM 681 N GLY A 49 -0.190 12.386 1.255 1.00 0.00 N ATOM 682 CA GLY A 49 0.641 12.907 2.375 1.00 0.00 C ATOM 683 C GLY A 49 0.898 14.399 2.146 1.00 0.00 C ATOM 684 O GLY A 49 0.286 15.002 1.287 1.00 0.00 O ATOM 0 H GLY A 49 -0.118 12.918 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.131 12.753 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.585 12.365 2.428 1.00 0.00 H new ATOM 688 N PRO A 50 1.793 14.950 2.919 1.00 0.00 N ATOM 689 CA PRO A 50 2.154 16.375 2.823 1.00 0.00 C ATOM 690 C PRO A 50 3.063 16.617 1.613 1.00 0.00 C ATOM 691 O PRO A 50 4.239 16.889 1.752 1.00 0.00 O ATOM 692 CB PRO A 50 2.898 16.644 4.135 1.00 0.00 C ATOM 693 CG PRO A 50 3.408 15.273 4.637 1.00 0.00 C ATOM 694 CD PRO A 50 2.534 14.203 3.957 1.00 0.00 C ATOM 0 HA PRO A 50 1.293 17.030 2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.728 17.333 3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.237 17.105 4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.459 15.134 4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.331 15.204 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.142 13.410 3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.857 13.730 4.668 1.00 0.00 H new ATOM 702 N ALA A 51 2.530 16.515 0.422 1.00 0.00 N ATOM 703 CA ALA A 51 3.370 16.736 -0.789 1.00 0.00 C ATOM 704 C ALA A 51 2.465 17.075 -1.980 1.00 0.00 C ATOM 705 O ALA A 51 1.259 17.120 -1.842 1.00 0.00 O ATOM 706 CB ALA A 51 4.164 15.462 -1.083 1.00 0.00 C ATOM 0 H ALA A 51 1.553 16.289 0.238 1.00 0.00 H new ATOM 0 HA ALA A 51 4.060 17.562 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.782 15.614 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.802 15.226 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.475 14.636 -1.260 1.00 0.00 H new ATOM 712 N PRO A 52 3.072 17.306 -3.118 1.00 0.00 N ATOM 713 CA PRO A 52 2.337 17.644 -4.352 1.00 0.00 C ATOM 714 C PRO A 52 1.683 16.391 -4.948 1.00 0.00 C ATOM 715 O PRO A 52 0.499 16.368 -5.218 1.00 0.00 O ATOM 716 CB PRO A 52 3.422 18.205 -5.275 1.00 0.00 C ATOM 717 CG PRO A 52 4.770 17.656 -4.752 1.00 0.00 C ATOM 718 CD PRO A 52 4.541 17.250 -3.283 1.00 0.00 C ATOM 0 HA PRO A 52 1.524 18.352 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.251 17.897 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.416 19.295 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.096 16.801 -5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.552 18.412 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.927 16.251 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.045 17.931 -2.598 1.00 0.00 H new ATOM 726 N VAL A 53 2.438 15.346 -5.140 1.00 0.00 N ATOM 727 CA VAL A 53 1.852 14.094 -5.702 1.00 0.00 C ATOM 728 C VAL A 53 1.353 13.226 -4.540 1.00 0.00 C ATOM 729 O VAL A 53 2.073 12.386 -4.038 1.00 0.00 O ATOM 730 CB VAL A 53 2.933 13.332 -6.471 1.00 0.00 C ATOM 731 CG1 VAL A 53 2.280 12.255 -7.339 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.705 14.305 -7.363 1.00 0.00 C ATOM 0 H VAL A 53 3.436 15.303 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 53 1.028 14.333 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 53 3.618 12.863 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.051 11.712 -7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.729 11.561 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.594 12.723 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.475 13.763 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.019 14.774 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.171 15.073 -6.746 1.00 0.00 H new ATOM 742 N ASP A 54 0.146 13.440 -4.074 1.00 0.00 N ATOM 743 CA ASP A 54 -0.337 12.638 -2.916 1.00 0.00 C ATOM 744 C ASP A 54 -1.309 11.514 -3.351 1.00 0.00 C ATOM 745 O ASP A 54 -1.027 10.357 -3.102 1.00 0.00 O ATOM 746 CB ASP A 54 -0.994 13.582 -1.899 1.00 0.00 C ATOM 747 CG ASP A 54 0.085 14.434 -1.222 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.177 13.927 -1.023 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.201 15.579 -0.912 1.00 0.00 O ATOM 0 H ASP A 54 -0.514 14.125 -4.441 1.00 0.00 H new ATOM 0 HA ASP A 54 0.515 12.140 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.719 14.224 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.540 13.006 -1.152 1.00 0.00 H new ATOM 754 N PRO A 55 -2.425 11.855 -3.967 1.00 0.00 N ATOM 755 CA PRO A 55 -3.420 10.844 -4.402 1.00 0.00 C ATOM 756 C PRO A 55 -2.984 10.144 -5.695 1.00 0.00 C ATOM 757 O PRO A 55 -2.999 10.732 -6.758 1.00 0.00 O ATOM 758 CB PRO A 55 -4.682 11.670 -4.658 1.00 0.00 C ATOM 759 CG PRO A 55 -4.206 13.117 -4.923 1.00 0.00 C ATOM 760 CD PRO A 55 -2.810 13.246 -4.288 1.00 0.00 C ATOM 0 HA PRO A 55 -3.554 10.055 -3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.236 11.280 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.353 11.632 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.165 13.321 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.898 13.838 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.101 13.706 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.836 13.868 -3.393 1.00 0.00 H new ATOM 768 N VAL A 56 -2.596 8.896 -5.623 1.00 0.00 N ATOM 769 CA VAL A 56 -2.169 8.186 -6.851 1.00 0.00 C ATOM 770 C VAL A 56 -2.654 6.739 -6.823 1.00 0.00 C ATOM 771 O VAL A 56 -2.006 5.876 -6.264 1.00 0.00 O ATOM 772 CB VAL A 56 -0.663 8.160 -6.884 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.198 7.757 -8.286 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.113 9.544 -6.533 1.00 0.00 C ATOM 0 H VAL A 56 -2.559 8.345 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.583 8.698 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.294 7.438 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.891 7.736 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.586 6.768 -8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.567 8.480 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.976 9.520 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.477 10.274 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.447 9.825 -5.534 1.00 0.00 H new ATOM 784 N MET A 57 -3.767 6.447 -7.424 1.00 0.00 N ATOM 785 CA MET A 57 -4.237 5.034 -7.415 1.00 0.00 C ATOM 786 C MET A 57 -4.842 4.656 -8.770 1.00 0.00 C ATOM 787 O MET A 57 -5.573 5.416 -9.375 1.00 0.00 O ATOM 788 CB MET A 57 -5.259 4.839 -6.292 1.00 0.00 C ATOM 789 CG MET A 57 -6.579 5.507 -6.676 1.00 0.00 C ATOM 790 SD MET A 57 -7.838 4.237 -6.953 1.00 0.00 S ATOM 791 CE MET A 57 -9.159 5.341 -7.512 1.00 0.00 C ATOM 0 H MET A 57 -4.366 7.111 -7.915 1.00 0.00 H new ATOM 0 HA MET A 57 -3.385 4.378 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.417 3.776 -6.112 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.880 5.267 -5.364 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.899 6.186 -5.885 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.447 6.107 -7.577 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.049 4.756 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.390 6.059 -6.725 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.834 5.874 -8.406 1.00 0.00 H new ATOM 801 N VAL A 58 -4.526 3.479 -9.251 1.00 0.00 N ATOM 802 CA VAL A 58 -5.061 3.033 -10.571 1.00 0.00 C ATOM 803 C VAL A 58 -5.606 1.602 -10.455 1.00 0.00 C ATOM 804 O VAL A 58 -5.204 0.838 -9.595 1.00 0.00 O ATOM 805 CB VAL A 58 -3.952 3.045 -11.628 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.482 3.689 -12.910 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.743 3.842 -11.124 1.00 0.00 C ATOM 0 H VAL A 58 -3.918 2.807 -8.783 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.857 3.717 -10.866 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.642 2.019 -11.826 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.695 3.699 -13.664 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.332 3.116 -13.280 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.797 4.711 -12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.964 3.841 -11.886 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.045 4.868 -10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.360 3.384 -10.212 1.00 0.00 H new ATOM 817 N ASP A 59 -6.511 1.237 -11.325 1.00 0.00 N ATOM 818 CA ASP A 59 -7.090 -0.137 -11.285 1.00 0.00 C ATOM 819 C ASP A 59 -6.688 -0.900 -12.555 1.00 0.00 C ATOM 820 O ASP A 59 -6.856 -0.421 -13.658 1.00 0.00 O ATOM 821 CB ASP A 59 -8.620 -0.034 -11.204 1.00 0.00 C ATOM 822 CG ASP A 59 -9.264 -1.346 -11.664 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.653 -2.384 -11.467 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.355 -1.289 -12.207 1.00 0.00 O ATOM 0 H ASP A 59 -6.876 1.836 -12.066 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.713 -0.672 -10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.923 0.189 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.970 0.789 -11.827 1.00 0.00 H new ATOM 829 N ASN A 60 -6.157 -2.083 -12.402 1.00 0.00 N ATOM 830 CA ASN A 60 -5.741 -2.875 -13.598 1.00 0.00 C ATOM 831 C ASN A 60 -6.901 -3.736 -14.108 1.00 0.00 C ATOM 832 O ASN A 60 -6.926 -4.129 -15.258 1.00 0.00 O ATOM 833 CB ASN A 60 -4.564 -3.780 -13.226 1.00 0.00 C ATOM 834 CG ASN A 60 -3.693 -4.020 -14.459 1.00 0.00 C ATOM 835 OD1 ASN A 60 -4.099 -4.696 -15.383 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.500 -3.492 -14.513 1.00 0.00 N ATOM 0 H ASN A 60 -5.993 -2.536 -11.503 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.445 -2.184 -14.387 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.973 -3.318 -12.435 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.931 -4.730 -12.837 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.910 -3.647 -15.330 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.158 -2.924 -13.738 1.00 0.00 H new ATOM 843 N GLY A 61 -7.868 -4.030 -13.284 1.00 0.00 N ATOM 844 CA GLY A 61 -9.010 -4.852 -13.758 1.00 0.00 C ATOM 845 C GLY A 61 -8.647 -6.341 -13.713 1.00 0.00 C ATOM 846 O GLY A 61 -9.322 -7.167 -14.297 1.00 0.00 O ATOM 0 H GLY A 61 -7.915 -3.737 -12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.885 -4.665 -13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.276 -4.566 -14.776 1.00 0.00 H new ATOM 850 N ASP A 62 -7.590 -6.698 -13.032 1.00 0.00 N ATOM 851 CA ASP A 62 -7.204 -8.137 -12.967 1.00 0.00 C ATOM 852 C ASP A 62 -7.332 -8.644 -11.528 1.00 0.00 C ATOM 853 O ASP A 62 -6.583 -9.496 -11.092 1.00 0.00 O ATOM 854 CB ASP A 62 -5.757 -8.297 -13.442 1.00 0.00 C ATOM 855 CG ASP A 62 -4.808 -7.657 -12.426 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.215 -6.700 -11.788 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.692 -8.133 -12.306 1.00 0.00 O ATOM 0 H ASP A 62 -6.981 -6.059 -12.521 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.865 -8.718 -13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.518 -9.354 -13.562 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.630 -7.829 -14.418 1.00 0.00 H new ATOM 862 N GLY A 63 -8.274 -8.128 -10.784 1.00 0.00 N ATOM 863 CA GLY A 63 -8.450 -8.581 -9.372 1.00 0.00 C ATOM 864 C GLY A 63 -7.374 -7.946 -8.486 1.00 0.00 C ATOM 865 O GLY A 63 -7.360 -8.116 -7.273 1.00 0.00 O ATOM 0 H GLY A 63 -8.930 -7.411 -11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.441 -8.304 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.384 -9.668 -9.318 1.00 0.00 H new ATOM 869 N THR A 64 -6.475 -7.211 -9.082 1.00 0.00 N ATOM 870 CA THR A 64 -5.399 -6.552 -8.305 1.00 0.00 C ATOM 871 C THR A 64 -5.323 -5.085 -8.727 1.00 0.00 C ATOM 872 O THR A 64 -5.594 -4.743 -9.860 1.00 0.00 O ATOM 873 CB THR A 64 -4.065 -7.233 -8.600 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.990 -7.541 -9.985 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.947 -8.519 -7.781 1.00 0.00 C ATOM 0 H THR A 64 -6.444 -7.040 -10.087 1.00 0.00 H new ATOM 0 HA THR A 64 -5.611 -6.626 -7.238 1.00 0.00 H new ATOM 0 HB THR A 64 -3.249 -6.562 -8.330 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.136 -6.726 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.993 -9.001 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.002 -8.280 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.762 -9.194 -8.044 1.00 0.00 H new ATOM 883 N TYR A 65 -4.970 -4.214 -7.827 1.00 0.00 N ATOM 884 CA TYR A 65 -4.897 -2.770 -8.189 1.00 0.00 C ATOM 885 C TYR A 65 -3.519 -2.218 -7.834 1.00 0.00 C ATOM 886 O TYR A 65 -2.825 -2.750 -6.991 1.00 0.00 O ATOM 887 CB TYR A 65 -5.990 -2.014 -7.439 1.00 0.00 C ATOM 888 CG TYR A 65 -7.327 -2.533 -7.896 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.664 -3.878 -7.698 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.218 -1.680 -8.548 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.887 -4.366 -8.152 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.446 -2.166 -8.997 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.783 -3.511 -8.802 1.00 0.00 C ATOM 894 OH TYR A 65 -10.995 -3.992 -9.253 1.00 0.00 O ATOM 0 H TYR A 65 -4.730 -4.435 -6.861 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.050 -2.646 -9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.877 -2.152 -6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.912 -0.944 -7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.974 -4.538 -7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.957 -0.644 -8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.143 -5.404 -8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.138 -1.504 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.716 -3.404 -8.944 1.00 0.00 H new ATOM 904 N ASP A 66 -3.103 -1.163 -8.486 1.00 0.00 N ATOM 905 CA ASP A 66 -1.758 -0.602 -8.190 1.00 0.00 C ATOM 906 C ASP A 66 -1.886 0.852 -7.744 1.00 0.00 C ATOM 907 O ASP A 66 -2.667 1.613 -8.280 1.00 0.00 O ATOM 908 CB ASP A 66 -0.885 -0.680 -9.447 1.00 0.00 C ATOM 909 CG ASP A 66 -1.325 0.389 -10.449 1.00 0.00 C ATOM 910 OD1 ASP A 66 -0.814 1.494 -10.369 1.00 0.00 O ATOM 911 OD2 ASP A 66 -2.165 0.086 -11.279 1.00 0.00 O ATOM 0 H ASP A 66 -3.634 -0.671 -9.205 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.297 -1.180 -7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.163 -0.535 -9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.967 -1.669 -9.897 1.00 0.00 H new ATOM 916 N VAL A 67 -1.115 1.242 -6.771 1.00 0.00 N ATOM 917 CA VAL A 67 -1.176 2.646 -6.289 1.00 0.00 C ATOM 918 C VAL A 67 0.262 3.147 -6.089 1.00 0.00 C ATOM 919 O VAL A 67 1.141 2.370 -5.763 1.00 0.00 O ATOM 920 CB VAL A 67 -1.967 2.685 -4.977 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.162 1.735 -5.078 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.096 2.233 -3.831 1.00 0.00 C ATOM 0 H VAL A 67 -0.443 0.646 -6.287 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.678 3.292 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.304 3.707 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.727 1.760 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.806 2.046 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.806 0.721 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.669 2.265 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.756 1.213 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.233 2.894 -3.747 1.00 0.00 H new ATOM 932 N GLU A 68 0.538 4.416 -6.298 1.00 0.00 N ATOM 933 CA GLU A 68 1.956 4.873 -6.128 1.00 0.00 C ATOM 934 C GLU A 68 2.064 6.372 -5.870 1.00 0.00 C ATOM 935 O GLU A 68 1.606 7.178 -6.632 1.00 0.00 O ATOM 936 CB GLU A 68 2.738 4.592 -7.403 1.00 0.00 C ATOM 937 CG GLU A 68 2.464 3.169 -7.890 1.00 0.00 C ATOM 938 CD GLU A 68 3.280 2.897 -9.154 1.00 0.00 C ATOM 939 OE1 GLU A 68 3.961 3.804 -9.603 1.00 0.00 O ATOM 940 OE2 GLU A 68 3.209 1.786 -9.654 1.00 0.00 O ATOM 0 H GLU A 68 -0.134 5.134 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 68 2.352 4.331 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.458 5.308 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.805 4.722 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.726 2.451 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.401 3.042 -8.096 1.00 0.00 H new ATOM 947 N PHE A 69 2.764 6.742 -4.850 1.00 0.00 N ATOM 948 CA PHE A 69 2.984 8.195 -4.578 1.00 0.00 C ATOM 949 C PHE A 69 4.488 8.397 -4.334 1.00 0.00 C ATOM 950 O PHE A 69 5.200 7.465 -3.989 1.00 0.00 O ATOM 951 CB PHE A 69 2.162 8.676 -3.365 1.00 0.00 C ATOM 952 CG PHE A 69 2.684 8.049 -2.111 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.612 6.664 -1.938 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.234 8.857 -1.115 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.095 6.093 -0.760 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.713 8.280 0.057 1.00 0.00 C ATOM 957 CZ PHE A 69 3.640 6.894 0.228 1.00 0.00 C ATOM 0 H PHE A 69 3.200 6.106 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 69 2.651 8.786 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.215 9.762 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.112 8.417 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.186 6.041 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.288 9.927 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.043 5.023 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.139 8.900 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.012 6.446 1.138 1.00 0.00 H new ATOM 967 N GLU A 70 4.994 9.583 -4.542 1.00 0.00 N ATOM 968 CA GLU A 70 6.456 9.803 -4.343 1.00 0.00 C ATOM 969 C GLU A 70 6.712 11.253 -3.892 1.00 0.00 C ATOM 970 O GLU A 70 6.697 12.158 -4.702 1.00 0.00 O ATOM 971 CB GLU A 70 7.184 9.547 -5.663 1.00 0.00 C ATOM 972 CG GLU A 70 8.638 10.005 -5.540 1.00 0.00 C ATOM 973 CD GLU A 70 9.329 9.892 -6.900 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.409 8.787 -7.410 1.00 0.00 O ATOM 975 OE2 GLU A 70 9.767 10.912 -7.406 1.00 0.00 O ATOM 0 H GLU A 70 4.464 10.402 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 70 6.824 9.121 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.145 8.487 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.690 10.083 -6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.677 11.035 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.161 9.395 -4.803 1.00 0.00 H new ATOM 982 N PRO A 71 6.937 11.428 -2.612 1.00 0.00 N ATOM 983 CA PRO A 71 7.198 12.758 -2.018 1.00 0.00 C ATOM 984 C PRO A 71 8.642 13.221 -2.283 1.00 0.00 C ATOM 985 O PRO A 71 9.328 12.694 -3.137 1.00 0.00 O ATOM 986 CB PRO A 71 6.970 12.528 -0.522 1.00 0.00 C ATOM 987 CG PRO A 71 7.153 11.011 -0.281 1.00 0.00 C ATOM 988 CD PRO A 71 6.945 10.319 -1.639 1.00 0.00 C ATOM 0 HA PRO A 71 6.561 13.536 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.679 13.104 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.971 12.851 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.147 10.799 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.435 10.646 0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.744 9.609 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.009 9.761 -1.663 1.00 0.00 H new ATOM 996 N LYS A 72 9.098 14.218 -1.559 1.00 0.00 N ATOM 997 CA LYS A 72 10.489 14.739 -1.766 1.00 0.00 C ATOM 998 C LYS A 72 11.184 14.978 -0.415 1.00 0.00 C ATOM 999 O LYS A 72 12.183 14.361 -0.110 1.00 0.00 O ATOM 1000 CB LYS A 72 10.439 16.057 -2.551 1.00 0.00 C ATOM 1001 CG LYS A 72 9.077 16.733 -2.358 1.00 0.00 C ATOM 1002 CD LYS A 72 9.074 18.086 -3.072 1.00 0.00 C ATOM 1003 CE LYS A 72 8.648 19.180 -2.091 1.00 0.00 C ATOM 1004 NZ LYS A 72 9.751 19.436 -1.122 1.00 0.00 N ATOM 0 H LYS A 72 8.565 14.694 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 72 11.055 13.996 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.235 16.721 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.612 15.865 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.285 16.098 -2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.874 16.870 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.067 18.303 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.392 18.059 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.406 20.094 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.746 18.876 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.489 20.226 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.916 18.583 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.619 19.678 -1.641 1.00 0.00 H new ATOM 1018 N GLU A 73 10.684 15.866 0.403 1.00 0.00 N ATOM 1019 CA GLU A 73 11.358 16.130 1.697 1.00 0.00 C ATOM 1020 C GLU A 73 10.834 15.154 2.753 1.00 0.00 C ATOM 1021 O GLU A 73 10.606 13.996 2.473 1.00 0.00 O ATOM 1022 CB GLU A 73 11.055 17.575 2.103 1.00 0.00 C ATOM 1023 CG GLU A 73 9.546 17.736 2.306 1.00 0.00 C ATOM 1024 CD GLU A 73 9.282 18.669 3.490 1.00 0.00 C ATOM 1025 OE1 GLU A 73 10.127 18.733 4.369 1.00 0.00 O ATOM 1026 OE2 GLU A 73 8.240 19.304 3.498 1.00 0.00 O ATOM 0 H GLU A 73 9.842 16.415 0.228 1.00 0.00 H new ATOM 0 HA GLU A 73 12.435 15.991 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.586 17.826 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.406 18.263 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.089 18.140 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.088 16.764 2.487 1.00 0.00 H new ATOM 1033 N ALA A 74 10.642 15.602 3.961 1.00 0.00 N ATOM 1034 CA ALA A 74 10.138 14.685 5.016 1.00 0.00 C ATOM 1035 C ALA A 74 8.612 14.729 5.002 1.00 0.00 C ATOM 1036 O ALA A 74 8.013 15.783 4.935 1.00 0.00 O ATOM 1037 CB ALA A 74 10.672 15.131 6.377 1.00 0.00 C ATOM 0 H ALA A 74 10.812 16.562 4.262 1.00 0.00 H new ATOM 0 HA ALA A 74 10.476 13.666 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.302 14.458 7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.762 15.107 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.333 16.146 6.586 1.00 0.00 H new ATOM 1043 N GLY A 75 7.977 13.593 5.028 1.00 0.00 N ATOM 1044 CA GLY A 75 6.492 13.580 4.973 1.00 0.00 C ATOM 1045 C GLY A 75 5.953 12.258 5.514 1.00 0.00 C ATOM 1046 O GLY A 75 6.647 11.265 5.577 1.00 0.00 O ATOM 0 H GLY A 75 8.420 12.676 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.092 14.409 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.158 13.723 3.945 1.00 0.00 H new ATOM 1050 N ASP A 76 4.709 12.244 5.894 1.00 0.00 N ATOM 1051 CA ASP A 76 4.094 10.997 6.424 1.00 0.00 C ATOM 1052 C ASP A 76 3.027 10.555 5.437 1.00 0.00 C ATOM 1053 O ASP A 76 2.525 11.339 4.656 1.00 0.00 O ATOM 1054 CB ASP A 76 3.457 11.272 7.788 1.00 0.00 C ATOM 1055 CG ASP A 76 2.225 12.163 7.609 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.280 11.713 6.984 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.249 13.279 8.102 1.00 0.00 O ATOM 0 H ASP A 76 4.085 13.050 5.860 1.00 0.00 H new ATOM 0 HA ASP A 76 4.848 10.220 6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.173 10.333 8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.177 11.758 8.446 1.00 0.00 H new ATOM 1062 N TYR A 77 2.706 9.300 5.432 1.00 0.00 N ATOM 1063 CA TYR A 77 1.706 8.810 4.451 1.00 0.00 C ATOM 1064 C TYR A 77 0.462 8.317 5.147 1.00 0.00 C ATOM 1065 O TYR A 77 0.512 7.689 6.180 1.00 0.00 O ATOM 1066 CB TYR A 77 2.268 7.632 3.669 1.00 0.00 C ATOM 1067 CG TYR A 77 3.686 7.892 3.288 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.118 9.196 3.064 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.556 6.818 3.123 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.435 9.429 2.665 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.871 7.042 2.726 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.315 8.352 2.493 1.00 0.00 C ATOM 1073 OH TYR A 77 7.617 8.581 2.096 1.00 0.00 O ATOM 0 H TYR A 77 3.089 8.593 6.060 1.00 0.00 H new ATOM 0 HA TYR A 77 1.469 9.645 3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.207 6.725 4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.669 7.462 2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.437 10.024 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.211 5.811 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.776 10.439 2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.547 6.210 2.598 1.00 0.00 H new ATOM 0 HH TYR A 77 7.846 9.521 2.253 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.645 8.551 4.531 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.926 8.053 5.068 1.00 0.00 C ATOM 1085 C VAL A 78 -2.522 7.194 3.973 1.00 0.00 C ATOM 1086 O VAL A 78 -2.589 7.594 2.816 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.854 9.205 5.422 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.733 10.300 4.366 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.298 8.699 5.481 1.00 0.00 C ATOM 0 H VAL A 78 -0.721 9.077 3.660 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.780 7.486 5.987 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.576 9.611 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.398 11.125 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.705 10.660 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.010 9.898 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.963 9.525 5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.580 8.291 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.380 7.921 6.240 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.879 5.998 4.304 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.396 5.076 3.251 1.00 0.00 C ATOM 1101 C ILE A 79 -4.900 4.883 3.322 1.00 0.00 C ATOM 1102 O ILE A 79 -5.545 5.084 4.330 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.711 3.709 3.364 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.572 3.765 4.388 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.142 3.310 2.002 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.735 2.489 4.292 1.00 0.00 C ATOM 0 H ILE A 79 -2.840 5.612 5.247 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.167 5.541 2.292 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.447 2.974 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.946 4.638 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.978 3.871 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.655 2.338 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.950 3.252 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.415 4.055 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.075 2.529 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.365 1.624 4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.317 2.403 3.289 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.444 4.472 2.221 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.889 4.205 2.129 1.00 0.00 C ATOM 1120 C ASN A 80 -7.073 3.057 1.137 1.00 0.00 C ATOM 1121 O ASN A 80 -6.783 3.180 -0.035 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.610 5.448 1.633 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.995 6.692 2.276 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.624 7.281 3.256 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -5.933 7.133 1.882 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.928 4.306 1.357 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.302 3.941 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.537 5.514 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.670 5.387 1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.442 6.672 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.533 7.964 2.317 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.534 1.940 1.609 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.728 0.758 0.724 1.00 0.00 C ATOM 1134 C LEU A 81 -9.064 0.143 1.094 1.00 0.00 C ATOM 1135 O LEU A 81 -9.315 -0.132 2.242 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.588 -0.239 0.974 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.779 -1.555 0.201 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.428 -2.584 1.117 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.657 -1.353 -1.031 1.00 0.00 C ATOM 0 H LEU A 81 -7.790 1.790 2.585 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.720 1.033 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.641 0.216 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.524 -0.454 2.041 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.801 -1.903 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.566 -3.519 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.787 -2.757 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.397 -2.213 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.772 -2.302 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.637 -0.987 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.190 -0.626 -1.695 1.00 0.00 H new ATOM 1151 N THR A 82 -9.946 -0.022 0.156 1.00 0.00 N ATOM 1152 CA THR A 82 -11.293 -0.556 0.521 1.00 0.00 C ATOM 1153 C THR A 82 -11.814 -1.558 -0.507 1.00 0.00 C ATOM 1154 O THR A 82 -11.728 -1.347 -1.700 1.00 0.00 O ATOM 1155 CB THR A 82 -12.251 0.636 0.592 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.963 1.540 -0.468 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.065 1.357 1.924 1.00 0.00 C ATOM 0 H THR A 82 -9.803 0.184 -0.833 1.00 0.00 H new ATOM 0 HA THR A 82 -11.221 -1.081 1.474 1.00 0.00 H new ATOM 0 HB THR A 82 -13.278 0.280 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.449 1.077 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.746 2.206 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.278 0.670 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.037 1.711 2.006 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.387 -2.641 -0.040 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.955 -3.652 -0.993 1.00 0.00 C ATOM 1167 C LEU A 83 -14.272 -4.200 -0.435 1.00 0.00 C ATOM 1168 O LEU A 83 -14.313 -5.305 0.054 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.970 -4.812 -1.192 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.400 -5.688 -2.392 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.521 -6.636 -1.963 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.911 -4.807 -3.534 1.00 0.00 C ATOM 0 H LEU A 83 -12.487 -2.869 0.949 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.132 -3.166 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.967 -4.420 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.927 -5.419 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.536 -6.260 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.821 -7.252 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.166 -7.278 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.375 -6.055 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.210 -5.436 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.768 -4.227 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.119 -4.129 -3.853 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.329 -3.419 -0.503 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.680 -3.845 0.007 1.00 0.00 C ATOM 1186 C ASP A 84 -17.350 -2.647 0.670 1.00 0.00 C ATOM 1187 O ASP A 84 -18.549 -2.613 0.861 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.597 -5.001 1.013 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.535 -6.336 0.264 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.357 -6.538 -0.615 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.667 -7.130 0.579 1.00 0.00 O ATOM 0 H ASP A 84 -15.312 -2.480 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.260 -4.202 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.715 -4.885 1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.464 -4.984 1.673 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.567 -1.672 1.051 1.00 0.00 N ATOM 1197 CA GLY A 85 -17.129 -0.481 1.736 1.00 0.00 C ATOM 1198 C GLY A 85 -16.360 -0.256 3.043 1.00 0.00 C ATOM 1199 O GLY A 85 -16.685 0.622 3.818 1.00 0.00 O ATOM 0 H GLY A 85 -15.556 -1.654 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.049 0.397 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.189 -0.629 1.942 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.333 -1.035 3.292 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.546 -0.850 4.536 1.00 0.00 C ATOM 1205 C ASP A 86 -13.077 -0.730 4.144 1.00 0.00 C ATOM 1206 O ASP A 86 -12.726 -0.899 2.993 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.740 -2.061 5.454 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.497 -1.647 6.906 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -14.222 -0.480 7.131 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -14.590 -2.505 7.769 1.00 0.00 O ATOM 0 H ASP A 86 -15.012 -1.788 2.683 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.873 0.044 5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.749 -2.457 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.052 -2.858 5.172 1.00 0.00 H new ATOM 1215 N ASN A 87 -12.207 -0.442 5.067 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.775 -0.321 4.691 1.00 0.00 C ATOM 1217 C ASN A 87 -9.989 -1.488 5.283 1.00 0.00 C ATOM 1218 O ASN A 87 -10.359 -2.044 6.298 1.00 0.00 O ATOM 1219 CB ASN A 87 -10.215 0.998 5.225 1.00 0.00 C ATOM 1220 CG ASN A 87 -11.230 2.117 4.989 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.219 2.753 3.955 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -12.115 2.385 5.910 1.00 0.00 N ATOM 0 H ASN A 87 -12.421 -0.287 6.052 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.684 -0.339 3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.998 0.908 6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.275 1.234 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.797 3.129 5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.125 1.851 6.779 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.905 -1.867 4.661 1.00 0.00 N ATOM 1230 CA VAL A 88 -8.113 -3.001 5.207 1.00 0.00 C ATOM 1231 C VAL A 88 -7.497 -2.559 6.550 1.00 0.00 C ATOM 1232 O VAL A 88 -7.451 -1.383 6.852 1.00 0.00 O ATOM 1233 CB VAL A 88 -7.032 -3.408 4.194 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.832 -4.045 4.901 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.632 -4.432 3.227 1.00 0.00 C ATOM 0 H VAL A 88 -8.538 -1.445 3.808 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.746 -3.871 5.380 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.693 -2.518 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.081 -4.324 4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.402 -3.331 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.158 -4.934 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.877 -4.732 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.967 -5.307 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.480 -3.987 2.706 1.00 0.00 H new ATOM 1245 N ASN A 89 -7.063 -3.481 7.379 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.505 -3.085 8.713 1.00 0.00 C ATOM 1247 C ASN A 89 -5.060 -2.585 8.606 1.00 0.00 C ATOM 1248 O ASN A 89 -4.309 -2.632 9.560 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.559 -4.285 9.658 1.00 0.00 C ATOM 1250 CG ASN A 89 -7.734 -4.116 10.622 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -7.626 -3.424 11.615 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -8.862 -4.720 10.369 1.00 0.00 N ATOM 0 H ASN A 89 -7.071 -4.484 7.191 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.111 -2.266 9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.671 -5.207 9.088 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.626 -4.366 10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.652 -4.611 11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.954 -5.301 9.536 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.671 -2.088 7.473 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.283 -1.564 7.324 1.00 0.00 C ATOM 1261 C GLY A 90 -3.314 -0.323 6.428 1.00 0.00 C ATOM 1262 O GLY A 90 -2.303 0.109 5.910 1.00 0.00 O ATOM 0 H GLY A 90 -5.252 -2.019 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.868 -1.314 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.637 -2.327 6.889 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.479 0.228 6.210 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.591 1.409 5.312 1.00 0.00 C ATOM 1268 C PHE A 91 -4.995 2.693 6.033 1.00 0.00 C ATOM 1269 O PHE A 91 -4.448 3.729 5.725 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.582 1.093 4.221 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.780 0.604 3.063 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.454 -0.746 2.973 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.326 1.505 2.105 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.676 -1.199 1.915 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.544 1.062 1.046 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.215 -0.296 0.943 1.00 0.00 C ATOM 0 H PHE A 91 -5.358 -0.091 6.617 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.600 1.599 4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.295 0.336 4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.159 1.977 3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.805 -1.439 3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.582 2.551 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.425 -2.247 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.190 1.763 0.304 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.610 -0.647 0.120 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.892 2.637 6.989 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.277 3.849 7.711 1.00 0.00 C ATOM 1288 C PRO A 92 -5.143 4.221 8.663 1.00 0.00 C ATOM 1289 O PRO A 92 -5.298 5.033 9.553 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.557 3.456 8.451 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.542 1.916 8.550 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.576 1.416 7.457 1.00 0.00 C ATOM 0 HA PRO A 92 -6.452 4.719 7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.589 3.909 9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.439 3.803 7.913 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.211 1.594 9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.542 1.508 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.867 0.690 7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.113 0.925 6.646 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.987 3.635 8.458 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.829 3.946 9.312 1.00 0.00 C ATOM 1302 C LYS A 93 -1.964 4.959 8.583 1.00 0.00 C ATOM 1303 O LYS A 93 -2.141 5.223 7.395 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.034 2.662 9.568 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.842 2.962 10.481 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.092 1.664 10.786 1.00 0.00 C ATOM 1307 CE LYS A 93 1.279 1.696 10.107 1.00 0.00 C ATOM 1308 NZ LYS A 93 2.287 1.031 10.981 1.00 0.00 N ATOM 0 H LYS A 93 -3.809 2.949 7.724 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.153 4.356 10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.676 1.912 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.684 2.246 8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.173 3.676 10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.187 3.421 11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.026 1.544 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.666 0.808 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.230 1.191 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.575 2.727 9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.218 1.054 10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.341 1.531 11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.006 0.043 11.145 1.00 0.00 H new ATOM 1322 N THR A 94 -1.046 5.545 9.280 1.00 0.00 N ATOM 1323 CA THR A 94 -0.183 6.553 8.646 1.00 0.00 C ATOM 1324 C THR A 94 1.269 6.130 8.750 1.00 0.00 C ATOM 1325 O THR A 94 1.773 5.845 9.817 1.00 0.00 O ATOM 1326 CB THR A 94 -0.378 7.888 9.355 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.765 8.184 9.423 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.348 8.982 8.582 1.00 0.00 C ATOM 0 H THR A 94 -0.857 5.366 10.266 1.00 0.00 H new ATOM 0 HA THR A 94 -0.448 6.650 7.593 1.00 0.00 H new ATOM 0 HB THR A 94 0.029 7.833 10.365 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.895 9.041 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.210 9.938 9.088 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.411 8.748 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.057 9.044 7.572 1.00 0.00 H new ATOM 1336 N VAL A 95 1.958 6.115 7.649 1.00 0.00 N ATOM 1337 CA VAL A 95 3.394 5.739 7.708 1.00 0.00 C ATOM 1338 C VAL A 95 4.205 7.032 7.714 1.00 0.00 C ATOM 1339 O VAL A 95 3.737 8.060 7.267 1.00 0.00 O ATOM 1340 CB VAL A 95 3.769 4.834 6.527 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.272 4.873 6.273 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.389 3.396 6.860 1.00 0.00 C ATOM 0 H VAL A 95 1.597 6.343 6.723 1.00 0.00 H new ATOM 0 HA VAL A 95 3.608 5.167 8.611 1.00 0.00 H new ATOM 0 HB VAL A 95 3.239 5.187 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.516 4.224 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.576 5.894 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.800 4.528 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.653 2.747 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.926 3.075 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.316 3.336 7.041 1.00 0.00 H new ATOM 1352 N THR A 96 5.383 7.023 8.272 1.00 0.00 N ATOM 1353 CA THR A 96 6.142 8.303 8.352 1.00 0.00 C ATOM 1354 C THR A 96 7.503 8.245 7.654 1.00 0.00 C ATOM 1355 O THR A 96 8.222 7.266 7.705 1.00 0.00 O ATOM 1356 CB THR A 96 6.352 8.657 9.827 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.100 8.982 10.416 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.296 9.854 9.940 1.00 0.00 C ATOM 0 H THR A 96 5.846 6.205 8.668 1.00 0.00 H new ATOM 0 HA THR A 96 5.553 9.061 7.836 1.00 0.00 H new ATOM 0 HB THR A 96 6.790 7.804 10.346 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.232 9.207 11.361 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.443 10.103 10.991 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.256 9.604 9.488 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.863 10.709 9.422 1.00 0.00 H new ATOM 1366 N VAL A 97 7.859 9.345 7.048 1.00 0.00 N ATOM 1367 CA VAL A 97 9.175 9.494 6.365 1.00 0.00 C ATOM 1368 C VAL A 97 9.803 10.794 6.881 1.00 0.00 C ATOM 1369 O VAL A 97 9.141 11.810 6.974 1.00 0.00 O ATOM 1370 CB VAL A 97 8.977 9.560 4.843 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.136 10.295 4.205 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.978 8.154 4.252 1.00 0.00 C ATOM 0 H VAL A 97 7.269 10.176 6.997 1.00 0.00 H new ATOM 0 HA VAL A 97 9.823 8.643 6.576 1.00 0.00 H new ATOM 0 HB VAL A 97 8.031 10.066 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.990 10.338 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.189 11.308 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.065 9.769 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.837 8.213 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.930 7.669 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.168 7.573 4.693 1.00 0.00 H new ATOM 1382 N LYS A 98 11.056 10.777 7.243 1.00 0.00 N ATOM 1383 CA LYS A 98 11.673 12.025 7.781 1.00 0.00 C ATOM 1384 C LYS A 98 12.976 12.389 7.049 1.00 0.00 C ATOM 1385 O LYS A 98 13.037 13.419 6.407 1.00 0.00 O ATOM 1386 CB LYS A 98 11.954 11.853 9.275 1.00 0.00 C ATOM 1387 CG LYS A 98 11.029 12.766 10.081 1.00 0.00 C ATOM 1388 CD LYS A 98 11.287 12.562 11.575 1.00 0.00 C ATOM 1389 CE LYS A 98 10.949 13.848 12.330 1.00 0.00 C ATOM 1390 NZ LYS A 98 11.437 13.743 13.734 1.00 0.00 N ATOM 0 H LYS A 98 11.673 9.966 7.192 1.00 0.00 H new ATOM 0 HA LYS A 98 10.967 12.840 7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.800 10.814 9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.995 12.093 9.489 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.202 13.808 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.988 12.544 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.681 11.737 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.330 12.293 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.410 14.704 11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.872 14.016 12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.207 14.618 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.977 12.936 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.467 13.602 13.734 1.00 0.00 H new ATOM 1404 N PRO A 99 13.997 11.571 7.181 1.00 0.00 N ATOM 1405 CA PRO A 99 15.300 11.856 6.551 1.00 0.00 C ATOM 1406 C PRO A 99 15.270 11.598 5.042 1.00 0.00 C ATOM 1407 O PRO A 99 15.912 10.690 4.550 1.00 0.00 O ATOM 1408 CB PRO A 99 16.261 10.891 7.248 1.00 0.00 C ATOM 1409 CG PRO A 99 15.393 9.744 7.813 1.00 0.00 C ATOM 1410 CD PRO A 99 13.963 10.301 7.944 1.00 0.00 C ATOM 0 HA PRO A 99 15.589 12.901 6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.003 10.508 6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.806 11.395 8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.413 8.879 7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.770 9.412 8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.227 9.609 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.695 10.470 8.987 1.00 0.00 H new ATOM 1418 N ALA A 100 14.553 12.396 4.294 1.00 0.00 N ATOM 1419 CA ALA A 100 14.532 12.179 2.820 1.00 0.00 C ATOM 1420 C ALA A 100 15.928 12.461 2.261 1.00 0.00 C ATOM 1421 O ALA A 100 16.497 11.633 1.577 1.00 0.00 O ATOM 1422 CB ALA A 100 13.510 13.109 2.156 1.00 0.00 C ATOM 0 H ALA A 100 13.990 13.176 4.634 1.00 0.00 H new ATOM 0 HA ALA A 100 14.246 11.148 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.508 12.938 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.518 12.905 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.777 14.146 2.357 1.00 0.00 H new TER 1428 ALA A 100